1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid

C14H21N3O4 — CID 106394710

IUPAC1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCCC1)NCCc1ncon1
InChIInChI=1S/C14H21N3O4/c18-12(15-8-5-11-16-10-21-17-11)9-14(13(19)20)6-3-1-2-4-7-14/h10H,1-9H2,(H,15,18)(H,19,20)
InChIKeyNWXFRINLUCFLHW-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.54
Rot. Bonds6

About 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 106394710) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID106394710
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCCC1)NCCc1ncon1
InChIInChI=1S/C14H21N3O4/c18-12(15-8-5-11-16-10-21-17-11)9-14(13(19)20)6-3-1-2-4-7-14/h10H,1-9H2,(H,15,18)(H,19,20)
InChIKeyNWXFRINLUCFLHW-UHFFFAOYSA-N
XLogP1.54
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106394720
1-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106404307
1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106414642
1-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 106414658
1-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid
CID 64545613
1-[2-oxo-2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclohexane-1-carboxylic acid
CID 63831519
1-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 106397615
1-[2-[2-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 60941221
2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106404494
3-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidine-3-carboxamide
CID 106397914
4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide
CID 114183639
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 106394710) is 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCCC1)NCCc1ncon1.
What is the InChIKey of 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is NWXFRINLUCFLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c18-12(15-8-5-11-16-10-21-17-11)9-14(13(19)20)6-3-1-2-4-7-14/h10H,1-9H2,(H,15,18)(H,19,20).
What are the key properties of 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 106394710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).